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Adding hydrogens changes Ring and Chain topology bonds to @ and !@ custom query value #1611

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AlexeyGirin opened this issue Jan 25, 2024 · 2 comments
Open

Adding hydrogens changes Ring and Chain topology bonds to @ and !@ custom query value #1611

AlexeyGirin opened this issue Jan 25, 2024 · 2 comments
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@AliaksandrDziarkach
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Bug Hydrogens Bucket: Fold-unfold hydrogens related issues Query features Bucket: Query features related issues
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Refined Backlog

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@AlexeyGirin
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Environment details (please complete the following information):

Describe the bug
Adding hydrogens changes Ring and Chain topology bonds to @ and !@ custom query value
image

Steps to Reproduce

  1. Load from file: Adding hydrogens changes Ring and Chain topology bonds to @ and !@ custom query value.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button

Actual behavior
System changes Ring and Chain topology bonds to @ and !@ custom query value
image

Expected behavior
No changes happen
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 25, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 26, 2024
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@AlexeyGirin
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Should be fixed.

@AlexeyGirin AlexeyGirin added Hydrogens Bucket: Fold-unfold hydrogens related issues Query features Bucket: Query features related issues and removed query features phase II labels Apr 17, 2024
@AlexeyGirin
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Moved to Refined Backlog since no fix over 2 versions

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@AliaksandrDziarkach AliaksandrDziarkach

Labels
Bug Hydrogens Bucket: Fold-unfold hydrogens related issues Query features Bucket: Query features related issues
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Refined Backlog
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@even1024 @AliaksandrDziarkach @AlexeyGirin @Zhirnoff